4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

C26H26ClFN6O — CID 10141356

IUPAC4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESFc1ccc(-c2nn3c(N4CCOCC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H26ClFN6O/c27-18-15-22-24(21-9-10-29-26(31-21)30-20-3-1-2-4-20)25(17-5-7-19(28)8-6-17)32-34(22)23(16-18)33-11-13-35-14-12-33/h5-10,15-16,20H,1-4,11-14H2,(H,29,30,31)
InChIKeyURXUQIDJIPWWEX-UHFFFAOYSA-N
MW492.99 g/mol
LogP5.44
Rot. Bonds5

About 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 10141356) has the molecular formula C26H26ClFN6O and a molecular weight of 492.99 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID10141356
Molecular FormulaC26H26ClFN6O
Molecular Weight492.99 g/mol
Exact Mass492.18
IUPAC Name4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESFc1ccc(-c2nn3c(N4CCOCC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H26ClFN6O/c27-18-15-22-24(21-9-10-29-26(31-21)30-20-3-1-2-4-20)25(17-5-7-19(28)8-6-17)32-34(22)23(16-18)33-11-13-35-14-12-33/h5-10,15-16,20H,1-4,11-14H2,(H,29,30,31)
InChIKeyURXUQIDJIPWWEX-UHFFFAOYSA-N
XLogP5.44
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (CID 10141356) is 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is Fc1ccc(-c2nn3c(N4CCOCC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is URXUQIDJIPWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O/c27-18-15-22-24(21-9-10-29-26(31-21)30-20-3-1-2-4-20)25(17-5-7-19(28)8-6-17)32-34(22)23(16-18)33-11-13-35-14-12-33/h5-10,15-16,20H,1-4,11-14H2,(H,29,30,31).
What are the key properties of 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 492.99 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 10141356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).